Angenomalin

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Angenomalin stable oxygenation prediction

Angenomalin unstable oxygenation prediction

Angenomalin dehydrogenation prediction

Angenomalin reduction prediction

Angenomalin hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC1(C2Cc3c(ccc4ccc(=O)oc34)O2)CO1 Quinonation prediction

Generation 2

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CC1(C2CC3=C(O2)C(=O)C(=O)c2ccc(=O)oc23)CO1 gsh prediction

CC1(C2CC3=C(O2)C(=O)C(=O)c2ccc(=O)oc23)CO1 protein prediction

CC1(C2CC3=C(O2)C(=O)C(=O)c2ccc(=O)oc23)CO1 cyanide prediction

CC1(C2CC3=C(O2)C(=O)C(=O)c2ccc(=O)oc23)CO1 dna prediction

Generation 3

glutathionation · 0.77

*CC(C)(O)C1CC2=C(O1)C(=O)C(=O)c1ccc(=O)oc12 |$GSH;;;;;;;;;;;;;;;;;;;;$|